2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C87H91ClF4N35O8+ — CID 159490107

IUPAC2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.C[N+]1(O)CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc2c1CCNC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H22ClN7O2.C20H22FN7O2.C16H16FN7O2.C16H16FN7O.C15H14FN7O/c2*21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14;1-24(26)3-2-11-9(8-24)4-19-6-12(11)21-16(25)13-14(18)22-23-7-10(17)5-20-15(13)23;1-23-3-2-11-9(7-23)4-19-6-12(11)21-16(25)13-14(18)22-24-8-10(17)5-20-15(13)24;16-9-5-20-14-12(13(17)22-23(14)7-9)15(24)21-11-6-19-4-8-3-18-2-1-10(8)11/h2*1,4,7-9,12,14H,2-3,5-6,10-11H2,(H2,22,26)(H,25,29);4-7,26H,2-3,8H2,1H3,(H2-,18,21,22,25);4-6,8H,2-3,7H2,1H3,(H2,18,22)(H,21,25);4-7,18H,1-3H2,(H2,17,22)(H,21,24)/p+1
InChIKeyZEMJLUJJQHNVCV-UHFFFAOYSA-O
MW1866.37 g/mol
LogP6.69
Rot. Bonds14

About 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159490107) has the molecular formula C87H91ClF4N35O8+ and a molecular weight of 1866.37 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159490107
Molecular FormulaC87H91ClF4N35O8+
Molecular Weight1866.37 g/mol
Exact Mass1864.74
IUPAC Name2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.C[N+]1(O)CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc2c1CCNC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H22ClN7O2.C20H22FN7O2.C16H16FN7O2.C16H16FN7O.C15H14FN7O/c2*21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14;1-24(26)3-2-11-9(8-24)4-19-6-12(11)21-16(25)13-14(18)22-23-7-10(17)5-20-15(13)23;1-23-3-2-11-9(7-23)4-19-6-12(11)21-16(25)13-14(18)22-24-8-10(17)5-20-15(13)24;16-9-5-20-14-12(13(17)22-23(14)7-9)15(24)21-11-6-19-4-8-3-18-2-1-10(8)11/h2*1,4,7-9,12,14H,2-3,5-6,10-11H2,(H2,22,26)(H,25,29);4-7,26H,2-3,8H2,1H3,(H2-,18,21,22,25);4-6,8H,2-3,7H2,1H3,(H2,18,22)(H,21,25);4-7,18H,1-3H2,(H2,17,22)(H,21,24)/p+1
InChIKeyZEMJLUJJQHNVCV-UHFFFAOYSA-O
XLogP6.69
TPSA551.44 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds14
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001866.37
LogP ≤ 56.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159490107) is 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.C[N+]1(O)CCc2c(cncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc2c1CCNC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZEMJLUJJQHNVCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22ClN7O2.C20H22FN7O2.C16H16FN7O2.C16H16FN7O.C15H14FN7O/c2*21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14;1-24(26)3-2-11-9(8-24)4-19-6-12(11)21-16(25)13-14(18)22-23-7-10(17)5-20-15(13)23;1-23-3-2-11-9(7-23)4-19-6-12(11)21-16(25)13-14(18)22-24-8-10(17)5-20-15(13)24;16-9-5-20-14-12(13(17)22-23(14)7-9)15(24)21-11-6-19-4-8-3-18-2-1-10(8)11/h2*1,4,7-9,12,14H,2-3,5-6,10-11H2,(H2,22,26)(H,25,29);4-7,26H,2-3,8H2,1H3,(H2-,18,21,22,25);4-6,8H,2-3,7H2,1H3,(H2,18,22)(H,21,25);4-7,18H,1-3H2,(H2,17,22)(H,21,24)/p+1.
What are the key properties of 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1866.37 g/mol, XLogP of 6.69, 14 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-hydroxy-7-methyl-6,8-dihydro-5H-2,7-naphthyridin-7-ium-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159490107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).